1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride

C15H18ClF3N2O3 — CID 71758384

IUPAC1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3.ClH/c16-15(17,18)12(21)19-14(13(22)23)6-8-20(9-7-14)10-11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,19,21)(H,22,23);1H
InChIKeyWYCOQTZVQKCEAM-UHFFFAOYSA-N
MW366.77 g/mol
LogP2.21
Rot. Bonds4

About 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride

1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 71758384) has the molecular formula C15H18ClF3N2O3 and a molecular weight of 366.77 g/mol. Its IUPAC name is 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
PubChem CID71758384
Molecular FormulaC15H18ClF3N2O3
Molecular Weight366.77 g/mol
Exact Mass366.10
IUPAC Name1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3.ClH/c16-15(17,18)12(21)19-14(13(22)23)6-8-20(9-7-14)10-11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,19,21)(H,22,23);1H
InChIKeyWYCOQTZVQKCEAM-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
CID 154385489
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride (CID 71758384) is 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is WYCOQTZVQKCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3.ClH/c16-15(17,18)12(21)19-14(13(22)23)6-8-20(9-7-14)10-11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,19,21)(H,22,23);1H.
What are the key properties of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride?
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 366.77 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 71758384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).